4-(7-bromanyl-2,2-dimethyl-chromen-3-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one

Systemtic Name: 4-(7-bromanyl-2,2-dimethyl-chromen-3-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Openeye Name: 4-(7-bromo-2,2-dimethyl-chromen-3-yl)sulfonyl-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one CAS Name: 4-[(7-bromo-2,2-dimethyl-1-benzopyran-3-yl)sulfonyl]-1-[methyl-(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinone IUPAC Name: 4-(7-bromo-2,2-dimethylchromen-3-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Traditional Name: 4-(7-bromo-2,2-dimethyl-chromen-3-yl)sulfonyl-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one Formula: C26H32BrN5O4S MolecularWeight: 590.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=C(O1)C=C(C=C2)Br)S(=O)(=O)N3CCN(C(=O)C3)N(C)C4CCN(CC4)C5=CC=NC=C5)C

Isomeric SMILES

CC1(C(=CC2=C(O1)C=C(C=C2)Br)S(=O)(=O)N3CCN(C(=O)C3)N(C)C4CCN(CC4)C5=CC=NC=C5)C

InChI

InChI=1S/C26H32BrN5O4S/c1-26(2)24(16-19-4-5-20(27)17-23(19)36-26)37(34,35)31-14-15-32(25(33)18-31)29(3)21-8-12-30(13-9-21)22-6-10-28-11-7-22/h4-7,10-11,16-17,21H,8-9,12-15,18H2,1-3H3